/usr/share/avogadro/crystals/oxides/PbO.cif is in avogadro-data 1.2.0-3.
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# All data on this site have been placed in the public domain by the
# contributors.
#------------------------------------------------------------------------------
#$Date: 2010-06-10 15:11:07 +0000 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: svn://cod.ibt.lt/cod/cif/9/9008960.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9008960
loop_
_publ_author_name
'Wyckoff, R. W. G.'
_publ_section_title
;
Second edition. Interscience Publishers, New York, New York
Sample known as yellow plumbous oxide
;
_journal_name_full 'Crystal Structures'
_journal_page_first 85
_journal_page_last 237
_journal_volume 1
_journal_year 1963
_chemical_formula_sum 'O Pb'
_chemical_name_mineral PbO
_space_group_IT_number 57
_symmetry_space_group_name_Hall '-P 2a 2ab'
_symmetry_space_group_name_H-M 'P b m a'
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_length_a 5.891
_cell_length_b 4.775
_cell_length_c 5.489
_cell_volume 154.403
_exptl_crystal_density_diffrn 9.602
_[local]_cod_chemical_formula_sum_orig 'Pb O'
_cod_database_code 9008960
_amcsd_database_code AMCSD#0011291
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2+y,z
1/2+x,1/2-y,-z
1/2+x,y,-z
1/2-x,-y,z
x,1/2-y,z
-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb -0.02080 0.25000 0.23090
O 0.08860 0.25000 -0.13090
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